8V7R
 
 | | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132 | | 分子名称: | (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2023-12-04 | | 公開日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132
To Be Published
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8V7U
 | | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 | | 分子名称: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, DIMETHYL SULFOXIDE, ... | | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2023-12-04 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784
To Be Published
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9ICD
 | | CATALYTIC MECHANISM OF NADP+-DEPENDENT ISOCITRATE DEHYDROGENASE: IMPLICATIONS FROM THE STRUCTURES OF MAGNESIUM-ISOCITRATE AND NADP+ COMPLEXES | | 分子名称: | ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Hurley, J.H, Dean, A.M, Koshland Jr, D.E, Stroud, R.M. | | 登録日 | 1991-07-29 | | 公開日 | 1991-10-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Catalytic mechanism of NADP(+)-dependent isocitrate dehydrogenase: implications from the structures of magnesium-isocitrate and NADP+ complexes.
Biochemistry, 30, 1991
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8UFO
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8YJM
 | | Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and a single chain H2B-H2A chimera | | 分子名称: | DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2B 1/2/3/4/6,Histone H2A type 1-D, ... | | 著者 | Gan, S.L, Yang, W.S, Xu, R.M. | | 登録日 | 2024-03-02 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (4.15 Å) | | 主引用文献 | Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 67, 2024
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9FWC
 | | Coxsackievirus B3 3C protease in C121 spacegroup | | 分子名称: | Genome polyprotein | | 著者 | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | | 登録日 | 2024-06-28 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Coxsackievirus B3 3C protease in C121 spacegroup
To Be Published
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8VC2
 | | CryoEM structure of insect gustatory receptor BmGr9 in the presence of fructose | | 分子名称: | (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, Gustatory receptor | | 著者 | Frank, H.M, Walsh Jr, R.M, Garrity, P.A, Gaudet, R. | | 登録日 | 2023-12-13 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | | 主引用文献 | Structure of an insect gustatory receptor.
Biorxiv, 2023
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8VC1
 | | CryoEM structure of insect gustatory receptor BmGr9 | | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, ... | | 著者 | Frank, H.M, Walsh Jr, R.M, Garrity, P.A, Gaudet, R. | | 登録日 | 2023-12-13 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | | 主引用文献 | Structure of an insect gustatory receptor.
Biorxiv, 2023
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8TO8
 | | Escherichia coli RNA polymerase unwinding intermediate (I1b) at the lambda PR promoter | | 分子名称: | (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | 著者 | Darst, S.A, Saecker, R.M, Mueller, A.U. | | 登録日 | 2023-08-03 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Early intermediates in bacterial RNA polymerase promoter melting visualized by time-resolved cryo-electron microscopy.
Nat.Struct.Mol.Biol., 2024
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8YJF
 | | Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and an H2A-H2B dimer | | 分子名称: | DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2A type 1-D, ... | | 著者 | Gan, S.L, Yang, W.S, Xu, R.M. | | 登録日 | 2024-03-01 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | | 主引用文献 | Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 67, 2024
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8TOM
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8U7U
 | | Proteasome 20S Core Particle from Beta 3 D205 deletion | | 分子名称: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | 著者 | Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J. | | 登録日 | 2023-09-15 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.16 Å) | | 主引用文献 | Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 2024
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8U6Y
 | | Preholo-Proteasome from Beta 3 D205 deletion | | 分子名称: | Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ... | | 著者 | Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J. | | 登録日 | 2023-09-14 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 2024
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2PGK
 | | THE USE OF PHASE COMBINATION IN THE REFINEMENT OF PHOSPHOGLYCERATE KINASE AT 2.5 ANGSTROMS RESOLUTION | | 分子名称: | PHOSPHOGLYCERATE KINASE | | 著者 | Banks, R.D, Blake, C.C.F, Evans, P.R, Maser, R.M. | | 登録日 | 1976-08-28 | | 公開日 | 1976-09-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The Use of Phase Combination in the Refinement of Phosphoglycerate Kinase at 2.5 Angstroms Resolution
Acta Crystallogr.,Sect.A, 37, 1981
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5SDY
 | | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-(2-methoxyethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | | 分子名称: | 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-(2-methoxyethyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Joseph, C, Rodriguez-Sarmiento, R.M, Benz, J, Schlatter, D, Rudolph, M.G. | | 登録日 | 2022-01-21 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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5SEE
 | | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | | 分子名称: | 6-cyclopropyl-N-[1-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Joseph, C, Rodriguez-Sarmiento, R.M, Benz, J, Schlatter, D, Rudolph, M.G. | | 登録日 | 2022-01-21 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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5SE1
 | | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | | 分子名称: | 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-methyl-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Joseph, C, Rodriguez-Sarmiento, R.M, Benz, J, Schlatter, D, Rudolph, M.G. | | 登録日 | 2022-01-21 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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4HU4
 | | Crystal structure of EAL domain of the E. coli DosP - dimeric form | | 分子名称: | Oxygen sensor protein DosP | | 著者 | Tarnawski, M, Barends, T.R.M, Hartmann, E, Schlichting, I. | | 登録日 | 2012-11-02 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structures of the catalytic EAL domain of the Escherichia coli direct oxygen sensor.
Acta Crystallogr.,Sect.D, 69, 2013
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5SFK
 | | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide | | 分子名称: | 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Joseph, C, Rodriguez-Sarmiento, R.M, Benz, J, Schlatter, D, Rudolph, M.G. | | 登録日 | 2022-01-21 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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5SEW
 | | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | | 分子名称: | 6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Joseph, C, Rodriguez-Sarmiento, R.M, Benz, J, Schlatter, D, Rudolph, M.G. | | 登録日 | 2022-01-21 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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5SJE
 | | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one | | 分子名称: | 3-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one, CHLORIDE ION, GLYCEROL, ... | | 著者 | Joseph, C, Benz, J, Flohr, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2022-02-01 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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5SJF
 | | Crystal Structure of human phosphodiesterase 10 in complex with 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | | 分子名称: | 3-[1-(quinolin-4-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, CHLORIDE ION, GLYCEROL, ... | | 著者 | Joseph, C, Benz, J, Flohr, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2022-02-01 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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5SKF
 | | Crystal Structure of human phosphodiesterase 10 in complex with 3-[5-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)-4-oxopyridazin-3-yl]pyrazol-1-yl]benzonitrile | | 分子名称: | 3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydropyridazin-3-yl]-1H-pyrazol-1-yl}benzonitrile, CHLORIDE ION, GLYCEROL, ... | | 著者 | Joseph, C, Benz, J, Flohr, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2022-02-01 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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1TO4
 | | Structure of the cytosolic Cu,Zn SOD from S. mansoni | | 分子名称: | COPPER (II) ION, Superoxide dismutase, ZINC ION | | 著者 | Cardoso, R.M.F, Silva, C.H.T.P, Ulian de Araujo, A.P, Tanaka, T, Tanaka, M, Garratt, R.C. | | 登録日 | 2004-06-12 | | 公開日 | 2004-08-31 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure of the cytosolic Cu,Zn superoxide dismutase from Schistosoma mansoni.
Acta Crystallogr.,Sect.D, 60, 2004
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1TO5
 | | Structure of the cytosolic Cu,Zn SOD from S. mansoni | | 分子名称: | ACETATE ION, COPPER (II) ION, Superoxide dismutase, ... | | 著者 | Cardoso, R.M.F, Silva, C.H.T.P, Ulian de Araujo, A.P, Tanaka, T, Tanaka, M, Garratt, R.C. | | 登録日 | 2004-06-12 | | 公開日 | 2004-08-31 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of the cytosolic Cu,Zn superoxide dismutase from Schistosoma mansoni.
Acta Crystallogr.,Sect.D, 60, 2004
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